obabel

Verified for current stable LTS

Obabel Commands

Obabel command syntax with verified terminal examples.

Commands

4 commands for Obabel

obabel Operations

Obabel Command: Convert Mol To Xyz Linux

obabel <path/to/file.mol> -O <path/to/output_file.xyz>

obabel Operations

Obabel Command: Convert Smiles To 3d Mol Linux

obabel <path/to/file.smi> -O <path/to/output_file.mol> --gen3D -m

obabel Operations

Obabel Command: Convert Smiles To Picture Linux

obabel -:"<SMILES>" -O <path/to/output_file.png> -xp 500

obabel Operations

Obabel Command: Render Multiple Inputs To Picture Linux

obabel <path/to/file1 path/to/file2 ...> -O <path/to/output_file.png>

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FAQ

Coverage: Focused examples for common Obabel workflows.

Verified version: current stable LTS.

Verification: Test commands in a disposable workspace and submit notes for edge cases.